N-[5-chloranyl-4-[2-(4-methylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-3-methyl-but-2-enamide

Systemtic Name: N-[5-chloranyl-4-[2-(4-methylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-3-methyl-but-2-enamide Openeye Name: N-[5-chloro-2-hydroxy-4-[2-(p-tolylsulfonyl)butanoylamino]phenyl]-3-methyl-but-2-enamide CAS Name: N-[5-chloro-2-hydroxy-4-[[2-(4-methylphenyl)sulfonyl-1-oxobutyl]amino]phenyl]-3-methyl-2-butenamide IUPAC Name: N-[5-chloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbut-2-enamide Traditional Name: N-[5-chloro-2-hydroxy-4-(2-tosylbutanoylamino)phenyl]-3-methyl-but-2-enamide Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C=C(C)C)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C=C(C)C)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H25ClN2O5S/c1-5-20(31(29,30)15-8-6-14(4)7-9-15)22(28)25-17-12-19(26)18(11-16(17)23)24-21(27)10-13(2)3/h6-12,20,26H,5H2,1-4H3,(H,24,27)(H,25,28)